1.0 2010-04-08 22:11:12 UTC 2019-11-26 03:09:52 UTC FDB014330 (17alpha,23S)-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione Aglycone from Muscari comosum (tassel hyacinth). (17alpha,23S)-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione is found in herbs and spices. 17a,23S-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione C29H44O5 472.6567 472.318874518 6',6'-bis(hydroxymethyl)-2',3,11',15'-tetramethyl-5-propanoylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan]-1'(10')-en-5'-one 6',6'-bis(hydroxymethyl)-2',3,11',15'-tetramethyl-5-propanoylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan]-1'(10')-en-5'-one CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC23C)C2(C)CCC(=O)C(CO)(CO)C2CC4)O1 InChI=1S/C29H44O5/c1-6-21(32)22-15-18(2)29(34-22)14-13-26(4)20-7-8-23-25(3,19(20)9-12-27(26,29)5)11-10-24(33)28(23,16-30)17-31/h18,22-23,30-31H,6-17H2,1-5H3 DIKWKAQBKMFLHS-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic heteropolycyclic compounds 3-oxosteroids Cyclic ketones Dialkyl ethers Hydrocarbon derivatives Organic oxides Oxacyclic compounds Primary alcohols Tetrahydrofurans 3-oxosteroid Alcohol Aliphatic heteropolycyclic compound Carbonyl group Cyclic ketone Dialkyl ether Ether Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxosteroid Primary alcohol Steroid Tetrahydrofuran Triterpenoid logp 4.46 ALOGPS logs -4.88 ALOGPS solubility 6.18e-03 g/l ALOGPS melting_point Mp 156-158° logp 3.86 ChemAxon pka_strongest_acidic 14.57 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 6',6'-bis(hydroxymethyl)-2',3,11',15'-tetramethyl-5-propanoylspiro[oxolane-2,14'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan]-1'(10')-en-5'-one ChemAxon average_mass 472.6567 ChemAxon mono_mass 472.318874518 ChemAxon smiles CCC(=O)C1CC(C)C2(CCC3(C)C4=C(CCC23C)C2(C)CCC(=O)C(CO)(CO)C2CC4)O1 ChemAxon formula C29H44O5 ChemAxon inchi InChI=1S/C29H44O5/c1-6-21(32)22-15-18(2)29(34-22)14-13-26(4)20-7-8-23-25(3,19(20)9-12-27(26,29)5)11-10-24(33)28(23,16-30)17-31/h18,22-23,30-31H,6-17H2,1-5H3 ChemAxon inchikey DIKWKAQBKMFLHS-UHFFFAOYSA-N ChemAxon polar_surface_area 83.83 ChemAxon refractivity 131.95 ChemAxon polarizability 54.91 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10982 Specdb::CMs 44458 Specdb::CMs 170426 Specdb::MsMs 74772 Specdb::MsMs 74773 Specdb::MsMs 74774 Specdb::MsMs 134250 Specdb::MsMs 134251 Specdb::MsMs 134252 Specdb::MsMs 2319539 Specdb::MsMs 2319540 Specdb::MsMs 2319541 Specdb::MsMs 2619869 Specdb::MsMs 2619870 Specdb::MsMs 2619871 HMDB35624 #<Reference:0x000055ce31648840> Herbs and Spices Unknown generic